Understanding the spatial heterogeneity of light and photosynthesis distribution within a canopy is crucial for optimizing plant growth and yield, especially in the context of greenhouse structures. In previous studies, we developed a 3D functional-structural plant model (FSPM) of the Chinese solar greenhouse (CSG) and tomato plants, in which the greenhouse was reconstructed as a 3D mockup and implemented in the virtual scene. This model, which accounts for various environmental factors, allows for precise calculations of radiation, temperature, and photosynthesis at the organ level. This study focuses on elucidating optimal canopy configurations for mechanized planting in greenhouses, building upon the commonly used north–south (N–S) orientation by exploring the east–west (E–W) orientation. Investigating sixteen scenarios with varying furrow distance (1 m, 1.2 m, 1.4 m, 1.6 m) and row spacing (0.3 m, 0.4 m, 0.5 m, 0.6 m), corresponding to 16 treatments of plant spacing, four planting patterns (homogeneous row, double row, staggered row, incremental row) and two orientations were investigated. The results show that in Shenyang city, an E–W orientation with the path width = 0.5 (furrow distance + row distance) = 0.8 m (homogeneous row), and a plant distance of 0.32 m, is the optimal solution for mechanized planting at a density of 39,000 plants/ha. Our findings reveal a nuanced understanding of how altering planting configurations impacts the light environment and photosynthesis rate within solar greenhouses. Looking forward, these insights not only contribute to the field of CSG mechanized planting, but also provide a basis for enhanced CSG planting management. Future research could further explore the broader implications of these optimized configurations in diverse geographic and climatic conditions.